Geometry & MOs

Info

ID:	1049
PubChem CID:	3716
Reduced:	ClNO4C34H40 (1)
Stoich.:	ABC4D34E40 (1)
Weight, g/mol:	561.264586
ΔH_f, kcal/mol:	-132.86
Dipole, Da:	1.62
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,11-trimethyldodeca-2,6,10-trienyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C

DOS

IR

Vibrations